4-chlorohenicosyl(trimethoxy)silane

C24H51ClO3Si — CID 141333665

IUPAC4-chlorohenicosyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCCCCC(Cl)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H51ClO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h24H,5-23H2,1-4H3
InChIKeySIZBMDKJAFZCHJ-UHFFFAOYSA-N
MW451.21 g/mol
LogP8.51
Rot. Bonds23

About 4-chlorohenicosyl(trimethoxy)silane

4-chlorohenicosyl(trimethoxy)silane (PubChem CID 141333665) has the molecular formula C24H51ClO3Si and a molecular weight of 451.21 g/mol. Its IUPAC name is 4-chlorohenicosyl(trimethoxy)silane.

Molecular Properties

Compound Name4-chlorohenicosyl(trimethoxy)silane
PubChem CID141333665
Molecular FormulaC24H51ClO3Si
Molecular Weight451.21 g/mol
Exact Mass450.33
IUPAC Name4-chlorohenicosyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCCCCC(Cl)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H51ClO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h24H,5-23H2,1-4H3
InChIKeySIZBMDKJAFZCHJ-UHFFFAOYSA-N
XLogP8.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.21
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(4-methylicosyl)silane
CID 88743380
17-chlorotritriacontane
CID 87852962
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
trimethoxy-[4-(2-methylpropyl)undecyl]silane
CID 173194024
dimethyl(1-trimethoxysilylhenicosan-4-yl)azanium bromide
CID 19102416
4-chloropentadecane
CID 63459834
trimethoxy(undecyl)silane;hydrobromide
CID 172731268

Frequently Asked Questions

What is the IUPAC name of 4-chlorohenicosyl(trimethoxy)silane?
The IUPAC name of 4-chlorohenicosyl(trimethoxy)silane (CID 141333665) is 4-chlorohenicosyl(trimethoxy)silane.
What is the SMILES notation for 4-chlorohenicosyl(trimethoxy)silane?
The canonical SMILES for 4-chlorohenicosyl(trimethoxy)silane is CCCCCCCCCCCCCCCCCC(Cl)CCC[Si](OC)(OC)OC.
What is the InChIKey of 4-chlorohenicosyl(trimethoxy)silane?
The InChIKey is SIZBMDKJAFZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51ClO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h24H,5-23H2,1-4H3.
What are the key properties of 4-chlorohenicosyl(trimethoxy)silane?
4-chlorohenicosyl(trimethoxy)silane has a molecular weight of 451.21 g/mol, XLogP of 8.51, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorohenicosyl(trimethoxy)silane is sourced from PubChem (CID 141333665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).